2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine

C10H6Cl2N2S2 — CID 12503702

IUPAC2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine
SMILESClc1ccc(SSc2ccc(Cl)nc2)cn1
InChIInChI=1S/C10H6Cl2N2S2/c11-9-3-1-7(5-13-9)15-16-8-2-4-10(12)14-6-8/h1-6H
InChIKeyCEPMAURPBKNVBX-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine

2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine (PubChem CID 12503702) has the molecular formula C10H6Cl2N2S2 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine
PubChem CID12503702
Molecular FormulaC10H6Cl2N2S2
Molecular Weight289.21 g/mol
Exact Mass287.93
IUPAC Name2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine
SMILESClc1ccc(SSc2ccc(Cl)nc2)cn1
InChIInChI=1S/C10H6Cl2N2S2/c11-9-3-1-7(5-13-9)15-16-8-2-4-10(12)14-6-8/h1-6H
InChIKeyCEPMAURPBKNVBX-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine?
The IUPAC name of 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine (CID 12503702) is 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine?
The canonical SMILES for 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine is Clc1ccc(SSc2ccc(Cl)nc2)cn1.
What is the InChIKey of 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine?
The InChIKey is CEPMAURPBKNVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2S2/c11-9-3-1-7(5-13-9)15-16-8-2-4-10(12)14-6-8/h1-6H.
What are the key properties of 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine?
2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine has a molecular weight of 289.21 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(6-chloro-3-pyridinyl)disulfanyl]pyridine is sourced from PubChem (CID 12503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).